(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C18H19N7O2 — CID 136728761

IUPAC(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H19N7O2/c1-11-15(17(26)23-13-6-4-5-7-14(13)27-3)16(12-8-20-24(2)9-12)25-18(22-11)19-10-21-25/h4-10,16H,1-3H3,(H,23,26)(H,19,21,22)/t16-/m1/s1
InChIKeySYKAGAVVGRVIPF-MRXNPFEDSA-N
MW365.40 g/mol
LogP1.95
Rot. Bonds4

About (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136728761) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136728761
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cnn(C)c1
InChIInChI=1S/C18H19N7O2/c1-11-15(17(26)23-13-6-4-5-7-14(13)27-3)16(12-8-20-24(2)9-12)25-18(22-11)19-10-21-25/h4-10,16H,1-3H3,(H,23,26)(H,19,21,22)/t16-/m1/s1
InChIKeySYKAGAVVGRVIPF-MRXNPFEDSA-N
XLogP1.95
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(7S)-N,7-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 993171
4-[(7S)-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 1093538
(7R)-N-(2-methoxyphenyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744472
4-[(7S)-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
CID 135608553
(7R)-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181413
N-(2-methoxyphenyl)-5-methyl-7-(4-propan-2-yloxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135825808
(7R)-7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181406
(7S)-N-(2-methoxyphenyl)-5-methyl-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992995
2-[(7S)-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 1093536
2-[6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 2793236
N-(2-ethoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5223245
(7R)-N-(2-methoxyphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136672547

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136728761) is (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cnn(C)c1.
What is the InChIKey of (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SYKAGAVVGRVIPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11-15(17(26)23-13-6-4-5-7-14(13)27-3)16(12-8-20-24(2)9-12)25-18(22-11)19-10-21-25/h4-10,16H,1-3H3,(H,23,26)(H,19,21,22)/t16-/m1/s1.
What are the key properties of (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(2-methoxyphenyl)-5-methyl-7-(1-methylpyrazol-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136728761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).